| Properties | Image |
|---|
| MNX_ID | MNXM27376 |
 |
| reference | glycosphingo:PECWNRODGNCYPJ_SRCPATJWSA_N |
| formula | C144H250N6O78 |
| global charge | 0 |
| mol weight | 3313.548 |
| InChIKey | PECWNRODGNCYPJ-SRCPATJWSA-N |
| InChI | InChI=1S/C144H250N6O78/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-84(170)150-67(68(169)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)59-199-135-111(192)107(188)123(81(58-163)214-135)222-142-112(193)124(93(174)72(49-154)208-142)223-132-87(147-64(5)166)102(183)121(79(56-161)211-132)220-143-117(198)129(98(179)83(215-143)61-201-131-86(146-63(4)165)100(181)119(77(54-159)210-131)218-140-114(195)126(95(176)74(51-156)206-140)227-137-109(190)105(186)91(172)70(47-152)203-137)225-134-89(149-66(7)168)103(184)122(80(57-162)213-134)221-144-116(197)128(224-133-88(148-65(6)167)101(182)120(78(55-160)212-133)219-141-115(196)127(96(177)75(52-157)207-141)228-138-110(191)106(187)92(173)71(48-153)204-138)97(178)82(216-144)60-200-130-85(145-62(3)164)99(180)118(76(53-158)209-130)217-139-113(194)125(94(175)73(50-155)205-139)226-136-108(189)104(185)90(171)69(46-151)202-136/h22-23,42,44,67-83,85-144,151-163,169,171-198H,8-21,24-41,43,45-61H2,1-7H3,(H,145,164)(H,146,165)(H,147,166)(H,148,167)(H,149,168)(H,150,170)/b23-22-,44-42+/t67-,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,85+,86+,87+,88+,89+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99+,100+,101+,102+,103+,104-,105-,106-,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124-,125-,126-,127-,128-,129-,130+,131+,132-,133-,134-,135+,136+,137+,138+,139-,140-,141-,142-,143-,144-/m0/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C144H250N6O78/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-84(170)150-67(68(169)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)59-199-135-111(192)107(188)123(81(58-163)214-135)222-142-112(193)124(93(174)72(49-154)208-142)223-132-87(147-64(5)166)102(183)121(79(56-161)211-132)220-143-117(198)129(98(179)83(215-143)61-201-131-86(146-63(4)165)100(181)119(77(54-159)210-131)218-140-114(195)126(95(176)74(51-156)206-140)227-137-109(190)105(186)91(172)70(47-152)203-137)225-134-89(149-66(7)168)103(184)122(80(57-162)213-134)221-144-116(197)128(224-133-88(148-65(6)167)101(182)120(78(55-160)212-133)219-141-115(196)127(96(177)75(52-157)207-141)228-138-110(191)106(187)92(173)71(48-153)204-138)97(178)82(216-144)60-200-130-85(145-62(3)164)99(180)118(76(53-158)209-130)217-139-113(194)125(94(175)73(50-155)205-139)226-136-108(189)104(185)90(171)69(46-151)202-136/h22-23,42,44,67-83,85-144,151-163,169,171-198H,8-21,24-41,43,45-61H2,1-7H3,(H,145,164)(H,146,165)(H,147,166)(H,148,167)(H,149,168)(H,150,170)/b23-22-,44-42+/t67-,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,85+,86+,87+,88+,89+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99+,100+,101+,102+,103+,104-,105-,106-,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124-,125-,126-,127-,128-,129-,130+,131+,132-,133-,134-,135+,136+,137+,138+,139-,140-,141-,142-,143-,144-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:84](=[N:150][C@@H:67]([CH2:59][O:199][C@H:135]1[C@H:111]([OH:192])[C@@H:107]([OH:188])[C@H:123]([O:222][C@H:142]2[C@H:112]([OH:193])[C@@H:124]([O:223][C@H:132]3[C@H:87]([N:147]=[C:64]([CH3:5])[OH:166])[C@@H:102]([OH:183])[C@H:121]([O:220][C@H:143]4[C@H:117]([OH:198])[C@@H:129]([O:225][C@H:134]5[C@H:89]([N:149]=[C:66]([CH3:7])[OH:168])[C@@H:103]([OH:184])[C@H:122]([O:221][C@H:144]6[C@H:116]([OH:197])[C@@H:128]([O:224][C@H:133]7[C@H:88]([N:148]=[C:65]([CH3:6])[OH:167])[C@@H:101]([OH:182])[C@H:120]([O:219][C@H:141]8[C@H:115]([OH:196])[C@@H:127]([O:228][C@@H:138]9[C@H:110]([OH:191])[C@@H:106]([OH:187])[C@@H:92]([OH:173])[C@@H:71]([CH2:48][OH:153])[O:204]9)[C@@H:96]([OH:177])[C@@H:75]([CH2:52][OH:157])[O:207]8)[C@@H:78]([CH2:55][OH:160])[O:212]7)[C@@H:97]([OH:178])[C@@H:82]([CH2:60][O:200][C@H:130]7[C@H:85]([N:145]=[C:62]([CH3:3])[OH:164])[C@@H:99]([OH:180])[C@H:118]([O:217][C@H:139]8[C@H:113]([OH:194])[C@@H:125]([O:226][C@@H:136]9[C@H:108]([OH:189])[C@@H:104]([OH:185])[C@@H:90]([OH:171])[C@@H:69]([CH2:46][OH:151])[O:202]9)[C@@H:94]([OH:175])[C@@H:73]([CH2:50][OH:155])[O:205]8)[C@@H:76]([CH2:53][OH:158])[O:209]7)[O:216]6)[C@@H:80]([CH2:57][OH:162])[O:213]5)[C@@H:98]([OH:179])[C@@H:83]([CH2:61][O:201][C@H:131]5[C@H:86]([N:146]=[C:63]([CH3:4])[OH:165])[C@@H:100]([OH:181])[C@H:119]([O:218][C@H:140]6[C@H:114]([OH:195])[C@@H:126]([O:227][C@@H:137]7[C@H:109]([OH:190])[C@@H:105]([OH:186])[C@@H:91]([OH:172])[C@@H:70]([CH2:47][OH:152])[O:203]7)[C@@H:95]([OH:176])[C@@H:74]([CH2:51][OH:156])[O:206]6)[C@@H:77]([CH2:54][OH:159])[O:210]5)[O:215]4)[C@@H:79]([CH2:56][OH:161])[O:211]3)[C@@H:93]([OH:174])[C@@H:72]([CH2:49][OH:154])[O:208]2)[C@@H:81]([CH2:58][OH:163])[O:214]1)[C@@H:68](/[CH:44]=[CH:42]/[CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:169])[OH:170] |
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